1.0 2011-09-26 22:55:05 UTC 2025-11-19 02:58:40 UTC FDB029718 methyl-(E)-geranate Flavouring compound [Flavornet] C11H18O2 182.263 182.13067982 methyl 3,7-dimethylocta-2,6-dienoate methyl 3,7-dimethylocta-2,6-dienoate 1189-09-9 COC(=O)C=C(C)CCC=C(C)C InChI=1S/C11H18O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,8H,5,7H2,1-4H3 ACOBBFVLNKYODD-UHFFFAOYSA-N belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle. Acyclic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic acyclic compounds Carbonyl compounds Enoate esters Fatty acid esters Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Acyclic monoterpenoid Aliphatic acyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Enoate ester Fatty acid ester Fatty acyl Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 3.67 ALOGPS logs -2.69 ALOGPS solubility 3.76e-01 g/l ALOGPS logp 3.2 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac methyl 3,7-dimethylocta-2,6-dienoate ChemAxon average_mass 182.263 ChemAxon mono_mass 182.13067982 ChemAxon smiles COC(=O)C=C(C)CCC=C(C)C ChemAxon formula C11H18O2 ChemAxon inchi InChI=1S/C11H18O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,8H,5,7H2,1-4H3 ChemAxon inchikey ACOBBFVLNKYODD-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 55.82 ChemAxon polarizability 21.76 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 91149 Specdb::MsMs 91150 Specdb::MsMs 91151 Specdb::MsMs 154479 Specdb::MsMs 154480 Specdb::MsMs 154481 Specdb::MsMs 3607249 Specdb::MsMs 3607250 Specdb::MsMs 3607251 Specdb::MsMs 3607252 Specdb::MsMs 3607253 Specdb::MsMs 3607254 flower fruit fruity green waxy